disodium;oxido carbonate;phenol

C13H12Na2O6 — CID 173289106

IUPACdisodium;oxido carbonate;phenol
SMILESO=C([O-])O[O-].Oc1ccccc1.Oc1ccccc1.[Na+].[Na+]
InChIInChI=1S/2C6H6O.CH2O4.2Na/c2*7-6-4-2-1-3-5-6;2-1(3)5-4;;/h2*1-5,7H;4H,(H,2,3);;/q;;;2*+1/p-2
InChIKeyPKIBHWYXMLFPRS-UHFFFAOYSA-L
MW310.21 g/mol
LogP-5.59
Rot. Bonds

About disodium;oxido carbonate;phenol

disodium;oxido carbonate;phenol (PubChem CID 173289106) has the molecular formula C13H12Na2O6 and a molecular weight of 310.21 g/mol. Its IUPAC name is disodium;oxido carbonate;phenol.

Molecular Properties

Compound Namedisodium;oxido carbonate;phenol
PubChem CID173289106
Molecular FormulaC13H12Na2O6
Molecular Weight310.21 g/mol
Exact Mass310.04
IUPAC Namedisodium;oxido carbonate;phenol
SMILESO=C([O-])O[O-].Oc1ccccc1.Oc1ccccc1.[Na+].[Na+]
InChIInChI=1S/2C6H6O.CH2O4.2Na/c2*7-6-4-2-1-3-5-6;2-1(3)5-4;;/h2*1-5,7H;4H,(H,2,3);;/q;;;2*+1/p-2
InChIKeyPKIBHWYXMLFPRS-UHFFFAOYSA-L
XLogP-5.59
TPSA112.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.21
LogP ≤ 5-5.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

disodium;phenol;carbonate
CID 161303410
molecular oxygen;phenol
CID 141080591
hydrogen sulfite;phenol
CID 53433159
zinc;phenol;propanoate
CID 174753936
carbonochloridic acid;phenol
CID 87237620
acetic acid;phenol
CID 70537927
methyl hydrogen carbonate;phenol
CID 126664263
disodium;phenol;sulfonatooxy sulfate
CID 174961086
phenol;tantalum
CID 19915613
phenol;chloride
CID 23313261
phenol;phosphane
CID 159689182
CID 67496590
CID 67496590

Frequently Asked Questions

What is the IUPAC name of disodium;oxido carbonate;phenol?
The IUPAC name of disodium;oxido carbonate;phenol (CID 173289106) is disodium;oxido carbonate;phenol.
What is the SMILES notation for disodium;oxido carbonate;phenol?
The canonical SMILES for disodium;oxido carbonate;phenol is O=C([O-])O[O-].Oc1ccccc1.Oc1ccccc1.[Na+].[Na+].
What is the InChIKey of disodium;oxido carbonate;phenol?
The InChIKey is PKIBHWYXMLFPRS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H6O.CH2O4.2Na/c2*7-6-4-2-1-3-5-6;2-1(3)5-4;;/h2*1-5,7H;4H,(H,2,3);;/q;;;2*+1/p-2.
What are the key properties of disodium;oxido carbonate;phenol?
disodium;oxido carbonate;phenol has a molecular weight of 310.21 g/mol, XLogP of -5.59, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;oxido carbonate;phenol is sourced from PubChem (CID 173289106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).